Glycoside
GD008006
Name:
NoneFormula:
C20H19O4N5Smiles:
CCC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@H]1OAglycone:
Nc1nc(C#Cc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
CCC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 393.4 | Num_heavy_atoms: | 29 |
| TPSA: | 136.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD00829
Formula: C13H8N5
Smiles:
Nc1nc(C#Cc2ccccc2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 234.24 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
